2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile

C15H28N2O2 — CID 106804715

IUPAC2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCOC1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17-15(4-2,13-16)8-5-10-19-14-6-11-18-12-7-14/h14,17H,3-12H2,1-2H3
InChIKeyBVUVUFJRUWHACC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds9

About 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile

2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile (PubChem CID 106804715) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
PubChem CID106804715
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCOC1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17-15(4-2,13-16)8-5-10-19-14-6-11-18-12-7-14/h14,17H,3-12H2,1-2H3
InChIKeyBVUVUFJRUWHACC-UHFFFAOYSA-N
XLogP2.63
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
CID 106804074
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922
5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile (CID 106804715) is 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCOC1CCOCC1.
What is the InChIKey of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile?
The InChIKey is BVUVUFJRUWHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-17-15(4-2,13-16)8-5-10-19-14-6-11-18-12-7-14/h14,17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile?
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile has a molecular weight of 268.40 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106804715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).